Formic Acid → HCID 58173312, compound

HRID 1226450Notes

Reaction equation

HRID 1226450 reaction equation
[CH3:40][C:41]#[N:42].[CH:9]([OH:10])=[O:11].[NH2:12][c:13]1[cH:14][c:15]([N:32]2[CH2:33][CH2:34][NH:35][C:36](=[O:39])[CH2:37][CH2:38]2)[n:16][c:17]2[n:18]1[n:19][cH:20][c:21]2-[c:22]1[cH:23][n:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31]1.[O:1]=[C:2]1[N:3]([Br:8])[C:4](=[O:5])[CH2:6][CH2:7]1>>[Br:8][c:14]1[c:13]([NH2:12])[n:18]2[c:17]([n:16][c:15]1[N:32]1[CH2:33][CH2:34][NH:35][C:36](=[O:39])[CH2:37][CH2:38]1)[c:21](-[c:22]1[cH:23][n:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[cH:31]1)[cH:20][n:19]2

Participants

5

Reactant 4

HCID 284Formic AcidHCID 6342AcetonitrileHCID 67184N-bromobutanimideHCID 67494547HCID 67494547, compound

Product 1

HCID 58173312HCID 58173312, compound

Sources & evidence

ORD record
ord-e7f17d69a0a648be8ccef39569503b4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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